BDBM50118372 CHEMBL3612508

SMILES: COc1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1

InChI Key: InChIKey=AYLQSRFNFBZNQA-RQZCQDPDSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50118372   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50118372 (CHEMBL3612508) Show SMILES COc1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C16H16N6O5S/c1-11-4-5-13(22(23)24)8-14(11)28(25,26)20(2)17-9-12-10-18-21-7-6-15(27-3)19-16(12)21/h4-10H,1-3H3/b17-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	327	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) by radiometric assay				Bioorg Med Chem 23: 6280-96 (2015) BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118372 (CHEMBL3612508) Show SMILES COc1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C16H16N6O5S/c1-11-4-5-13(22(23)24)8-14(11)28(25,26)20(2)17-9-12-10-18-21-7-6-15(27-3)19-16(12)21/h4-10H,1-3H3/b17-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50118372 (CHEMBL3612508) Show SMILES COc1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C16H16N6O5S/c1-11-4-5-13(22(23)24)8-14(11)28(25,26)20(2)17-9-12-10-18-21-7-6-15(27-3)19-16(12)21/h4-10H,1-3H3/b17-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay				Bioorg Med Chem 23: 6280-96 (2015) BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair